| SpectraBase Compound ID | KyboG1Isw7R |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7-4-5-9(11(13)14-3)6-10(7)15-8(2)12/h4-6H,1-3H3 |
| InChIKey | YFOLLIJTILZCFI-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L4Tyl5sPZT4 |
|---|---|
| Name | Methyl 3-acetoxy-4-methylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-7-4-5-9(11(13)14-3)6-10(7)15-8(2)12/h4-6H,1-3H3 |
| InChIKey | YFOLLIJTILZCFI-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C=1C(=CC(=C(C1)C)OC(C)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934859 |